SCHEMBL3226900

SCHEMBL3226900

O=C(O)c1cc(Nc2ccccc2)ncn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.66
EGFR P00533 3/20 0.54
ERBB3 P21860 3/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 4/20 0.50
CLK4 Q9HAZ1 4/20 0.50
CYP2C9 P11712 2/20 0.50
HCAR3 P49019 1/20 0.50
CYP2C19 P33261 4/20 0.49
CYP2D6 P10635 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
TNNI3K Q59H18 1/20 0.48
TP53 P04637 2/20 0.47
USP2 O75604 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25387375 0.90 KMO (0.54) KMOEGFRERBB3MEN1KMT2A
SCHEMBL3221134 0.87 KMO (0.67) KMOEGFRERBB3MEN1KMT2A
SCHEMBL13472427 0.87 KMO (0.62) KMOEGFRERBB3MEN1KMT2A
SCHEMBL3226154 0.85 S1PR1 (0.61) KMOEGFRERBB3MEN1KMT2A
SCHEMBL21645363 0.85 KMO (0.65) KMOEGFRERBB3MEN1KMT2A
SCHEMBL3225993 0.84 MEN1 (0.57) KMOEGFRERBB3MEN1KMT2A
SCHEMBL13472426 0.82 KMO (0.54) KMOMEN1KMT2ANPC1RAB9A
SCHEMBL414719 0.81 MEN1 (0.70) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL3221150 0.79 S1PR1 (0.58) KMOEGFRERBB3MEN1KMT2A
SCHEMBL3231476 0.79 MAPT (0.61) EGFRERBB3MEN1KMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336593-A1 Compound Having Antitumor Activity And Use Thereof INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-10-10 US disclosed
EP-4209485-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF Innovstone Therapeutics Limited (CN) 2023-07-12 EP disclosed
EP-4209485-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF Innovstone Therapeutics Limited (CN) 2023-07-12 EP disclosed
CN-116113626-A Compound with anti-tumor activity and application thereof 上海翊石医药科技有限公司 2023-05-12 CN disclosed
WO-2022048631-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2022-03-10 WO disclosed
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO disclosed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240336593-A1 Compound Having Antitumor Activity And Use Thereof PRMT5, PRMT1, PRMT6 KMO 951/4885EGFR 3478/4885ERBB3 2738/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.